CID 3042857

60644-97-5

Structural Information

Molecular Formula

C₂₅H₃₂N₂O₂

SMILES

CCC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)CC

InChI

InChI=1S/C25H32N2O2/c1-3-23(28)25(27(24(29)4-2)22-13-9-6-10-14-22)16-19-26(20-17-25)18-15-21-11-7-5-8-12-21/h5-14H,3-4,15-20H2,1-2H3

InChIKey

MEFSUFUXHLHDHA-UHFFFAOYSA-N

Compound name

N-phenyl-N-[1-(2-phenylethyl)-4-propanoylpiperidin-4-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 392.24637 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	393.253646	199.5
[M+Na]+	415.235588	200.4
[M-H]-	391.239094	206.8
[M+NH4]+	410.280193	210.2
[M+K]+	431.209528	196.6
[M+H-H2O]+	375.243630	188.2
[M+HCOO]-	437.244571	216.0
[M+CH3COO]-	451.260221	226.7
[M+Na-2H]-	413.221036	198.9
[M]+	392.24582142	197.0
[M]-	392.24691858	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe